N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide

C13H28N2O3 — CID 103409413

IUPACN-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
SMILESCCC(C)NC(=O)CCNCCCOCCOC
InChIInChI=1S/C13H28N2O3/c1-4-12(2)15-13(16)6-8-14-7-5-9-18-11-10-17-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyCRCZNYSZWABUKU-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.93
Rot. Bonds12

About N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide

N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide (PubChem CID 103409413) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
PubChem CID103409413
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
SMILESCCC(C)NC(=O)CCNCCCOCCOC
InChIInChI=1S/C13H28N2O3/c1-4-12(2)15-13(16)6-8-14-7-5-9-18-11-10-17-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyCRCZNYSZWABUKU-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
N-propan-2-yl-3-(3-propoxypropylamino)propanamide
CID 82942492
N-butan-2-yl-3-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111404237
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 61274259
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
3-[(5-amino-5-hydroxyiminopentyl)amino]-N-butan-2-ylpropanamide
CID 77028307
N-butan-2-yl-3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 110942520
N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
CID 106989516
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide (CID 103409413) is N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide is CCC(C)NC(=O)CCNCCCOCCOC.
What is the InChIKey of N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide?
The InChIKey is CRCZNYSZWABUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-12(2)15-13(16)6-8-14-7-5-9-18-11-10-17-3/h12,14H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide?
N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide has a molecular weight of 260.38 g/mol, XLogP of 0.93, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide is sourced from PubChem (CID 103409413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).